3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonyl-amino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]-carbomethoxy-amino]-6-butoxy-7-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C27H30F6N2O6 MolecularWeight: 592.527319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)CC(C(N2C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)CC(C(N2C(=O)O)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)OC

InChI

InChI=1S/C27H30F6N2O6/c1-5-6-7-41-23-11-17-10-20(15(2)35(24(36)37)21(17)13-22(23)39-3)34(25(38)40-4)14-16-8-18(26(28,29)30)12-19(9-16)27(31,32)33/h8-9,11-13,15,20H,5-7,10,14H2,1-4H3,(H,36,37)